(3Z)-3-[butoxy(oxidanyl)methylidene]-6-phenylmethoxy-isoquinoline-1,4-dione

Systemtic Name: (3Z)-3-[butoxy(oxidanyl)methylidene]-6-phenylmethoxy-isoquinoline-1,4-dione Openeye Name: (3Z)-6-benzyloxy-3-[butoxy(hydroxy)methylene]isoquinoline-1,4-dione CAS Name: (3Z)-3-[butoxy(hydroxy)methylidene]-6-phenylmethoxyisoquinoline-1,4-dione IUPAC Name: (3Z)-3-[butoxy(hydroxy)methylidene]-6-phenylmethoxyisoquinoline-1,4-dione Traditional Name: (3Z)-6-benzoxy-3-[butoxy(hydroxy)methylene]isoquinoline-1,4-quinone Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=C1C(=O)C2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=O)N1)O

Isomeric SMILES

CCCCO/C(=C\1/C(=O)C2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=O)N1)/O

InChI

InChI=1S/C21H21NO5/c1-2-3-11-26-21(25)18-19(23)17-12-15(9-10-16(17)20(24)22-18)27-13-14-7-5-4-6-8-14/h4-10,12,25H,2-3,11,13H2,1H3,(H,22,24)/b21-18-